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4-(Benzo[b]thien-3-yl)-3-(m-tolylethynyl)pyridine
SpectraBase Compound ID JyNKh8l3jjB
InChI InChI=1S/C22H15NS/c1-16-5-4-6-17(13-16)9-10-18-14-23-12-11-19(18)21-15-24-22-8-3-2-7-20(21)22/h2-8,11-15H,1H3
InChIKey NFMYUTMKVRZTMY-UHFFFAOYSA-N
Mol Weight 325.43 g/mol
Molecular Formula C22H15NS
Exact Mass 325.092521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vj5ZYIgvwf
Name 4-(Benzo[b]thien-3-yl)-3-(m-tolylethynyl)pyridine
Appearance Pale-yellow oil
Carrier Gas Helium
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Formula C22H15NS
InChI InChI=1S/C22H15NS/c1-16-5-4-6-17(13-16)9-10-18-14-23-12-11-19(18)21-15-24-22-8-3-2-7-20(21)22/h2-8,11-15H,1H3
InChIKey NFMYUTMKVRZTMY-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95-XP
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202101306
Molecular Weight 325.429 g/mol
Quality 303
Reported Formula C22H15NS
SMILES C1=2SC=C(C2C=CC=C1)C1=C(C=NC=C1)C#CC1=CC=CC(=C1)C
SPLASH splash10-024i-0009000000-6a69fb105933ee1bd5c2
Source of Spectrum K1-2022-SM17-2q (DOI: 10.1002/ejoc.202101306)
Thin-Layer Chromatography 0.3 (Heptane/EtOAc, 3:1)
Wiley ID 1899028